USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 531 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 CYS SG : rot 100:sc= -2.15 USER MOD Set 1.2: A 46 ASN : amide:sc= -0.016 K(o=-2.2,f=-3.4!) USER MOD Set 2.1: A 5 THR OG1 : rot -60:sc= 0.707 USER MOD Set 2.2: A 7 SER OG : rot 180:sc= -0.54 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00264 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 84:sc= 0.891 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00487 USER MOD Single : A 76 MET CE :methyl -130:sc= -4.07! (180deg=-9.91!) USER MOD Single : A 77 THR OG1 : rot 90:sc= 0.447 USER MOD Single : A 78 ASN : amide:sc= -7.3! C(o=-7.3!,f=-9.8!) USER MOD Single : A 80 SER OG : rot -59:sc= -6.12! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 65.851 11.549 0.551 1.00 0.00 N ATOM 35 CA LEU A 3 65.708 10.220 -0.037 1.00 0.00 C ATOM 36 C LEU A 3 67.011 9.429 0.102 1.00 0.00 C ATOM 37 O LEU A 3 67.899 9.808 0.866 1.00 0.00 O ATOM 38 CB LEU A 3 65.307 10.327 -1.516 1.00 0.00 C ATOM 39 CG LEU A 3 66.403 10.800 -2.477 1.00 0.00 C ATOM 40 CD1 LEU A 3 66.079 10.323 -3.896 1.00 0.00 C ATOM 41 CD2 LEU A 3 66.468 12.329 -2.460 1.00 0.00 C ATOM 0 HA LEU A 3 64.921 9.690 0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 3 64.957 9.350 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 3 64.463 11.012 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 3 67.363 10.389 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 3 66.858 10.659 -4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 3 66.028 9.234 -3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 3 65.120 10.735 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 3 67.247 12.668 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 3 65.507 12.738 -2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 3 66.696 12.672 -1.451 1.00 0.00 H new ATOM 53 N LEU A 4 67.117 8.324 -0.636 1.00 0.00 N ATOM 54 CA LEU A 4 68.319 7.492 -0.570 1.00 0.00 C ATOM 55 C LEU A 4 68.851 7.215 -1.975 1.00 0.00 C ATOM 56 O LEU A 4 68.150 7.422 -2.966 1.00 0.00 O ATOM 57 CB LEU A 4 68.005 6.168 0.136 1.00 0.00 C ATOM 58 CG LEU A 4 69.222 5.308 0.494 1.00 0.00 C ATOM 59 CD1 LEU A 4 68.984 4.608 1.837 1.00 0.00 C ATOM 60 CD2 LEU A 4 69.437 4.250 -0.590 1.00 0.00 C ATOM 0 H LEU A 4 66.398 7.988 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 4 69.081 8.027 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 4 67.454 6.386 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 4 67.344 5.583 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 4 70.102 5.947 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 4 69.851 3.998 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 4 68.829 5.356 2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 4 68.102 3.972 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 4 70.303 3.639 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 4 68.553 3.616 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 4 69.609 4.740 -1.548 1.00 0.00 H new ATOM 72 N THR A 5 70.101 6.760 -2.059 1.00 0.00 N ATOM 73 CA THR A 5 70.704 6.481 -3.364 1.00 0.00 C ATOM 74 C THR A 5 71.599 5.246 -3.322 1.00 0.00 C ATOM 75 O THR A 5 71.775 4.613 -2.281 1.00 0.00 O ATOM 76 CB THR A 5 71.550 7.671 -3.819 1.00 0.00 C ATOM 77 OG1 THR A 5 72.340 8.132 -2.732 1.00 0.00 O ATOM 78 CG2 THR A 5 70.637 8.796 -4.298 1.00 0.00 C ATOM 0 H THR A 5 70.706 6.579 -1.258 1.00 0.00 H new ATOM 0 HA THR A 5 69.886 6.302 -4.062 1.00 0.00 H new ATOM 0 HB THR A 5 72.200 7.361 -4.637 1.00 0.00 H new ATOM 0 HG1 THR A 5 71.754 8.415 -1.999 1.00 0.00 H new ATOM 0 HG21 THR A 5 71.242 9.643 -4.622 1.00 0.00 H new ATOM 0 HG22 THR A 5 70.031 8.443 -5.133 1.00 0.00 H new ATOM 0 HG23 THR A 5 69.984 9.107 -3.482 1.00 0.00 H new ATOM 86 N LEU A 6 72.178 4.931 -4.483 1.00 0.00 N ATOM 87 CA LEU A 6 73.083 3.787 -4.617 1.00 0.00 C ATOM 88 C LEU A 6 74.240 3.923 -3.640 1.00 0.00 C ATOM 89 O LEU A 6 74.433 3.091 -2.753 1.00 0.00 O ATOM 90 CB LEU A 6 73.632 3.737 -6.051 1.00 0.00 C ATOM 91 CG LEU A 6 74.776 2.744 -6.329 1.00 0.00 C ATOM 92 CD1 LEU A 6 76.110 3.325 -5.847 1.00 0.00 C ATOM 93 CD2 LEU A 6 74.510 1.410 -5.621 1.00 0.00 C ATOM 0 H LEU A 6 72.035 5.454 -5.347 1.00 0.00 H new ATOM 0 HA LEU A 6 72.535 2.870 -4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 6 72.806 3.498 -6.721 1.00 0.00 H new ATOM 0 HB3 LEU A 6 73.979 4.736 -6.316 1.00 0.00 H new ATOM 0 HG LEU A 6 74.828 2.571 -7.404 1.00 0.00 H new ATOM 0 HD11 LEU A 6 76.911 2.614 -6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 6 76.312 4.258 -6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 6 76.057 3.517 -4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 6 75.327 0.719 -5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 6 74.438 1.577 -4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 6 73.575 0.985 -5.985 1.00 0.00 H new ATOM 105 N SER A 7 75.005 4.994 -3.830 1.00 0.00 N ATOM 106 CA SER A 7 76.171 5.292 -2.984 1.00 0.00 C ATOM 107 C SER A 7 75.876 5.045 -1.507 1.00 0.00 C ATOM 108 O SER A 7 76.655 4.421 -0.789 1.00 0.00 O ATOM 109 CB SER A 7 76.557 6.757 -3.144 1.00 0.00 C ATOM 110 OG SER A 7 75.577 7.573 -2.515 1.00 0.00 O ATOM 0 H SER A 7 74.841 5.679 -4.568 1.00 0.00 H new ATOM 0 HA SER A 7 76.979 4.633 -3.301 1.00 0.00 H new ATOM 0 HB2 SER A 7 77.536 6.937 -2.700 1.00 0.00 H new ATOM 0 HB3 SER A 7 76.634 7.011 -4.201 1.00 0.00 H new ATOM 0 HG SER A 7 75.824 8.516 -2.615 1.00 0.00 H new ATOM 116 N ASP A 8 74.735 5.562 -1.075 1.00 0.00 N ATOM 117 CA ASP A 8 74.314 5.423 0.313 1.00 0.00 C ATOM 118 C ASP A 8 74.194 3.954 0.708 1.00 0.00 C ATOM 119 O ASP A 8 74.766 3.518 1.703 1.00 0.00 O ATOM 120 CB ASP A 8 72.959 6.101 0.519 1.00 0.00 C ATOM 121 CG ASP A 8 73.064 7.586 0.178 1.00 0.00 C ATOM 122 OD1 ASP A 8 74.133 8.146 0.365 1.00 0.00 O ATOM 123 OD2 ASP A 8 72.071 8.141 -0.262 1.00 0.00 O ATOM 0 H ASP A 8 74.084 6.081 -1.664 1.00 0.00 H new ATOM 0 HA ASP A 8 75.070 5.897 0.938 1.00 0.00 H new ATOM 0 HB2 ASP A 8 72.206 5.627 -0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 8 72.634 5.978 1.552 1.00 0.00 H new ATOM 128 N LEU A 9 73.436 3.197 -0.077 1.00 0.00 N ATOM 129 CA LEU A 9 73.241 1.777 0.217 1.00 0.00 C ATOM 130 C LEU A 9 74.572 1.027 0.224 1.00 0.00 C ATOM 131 O LEU A 9 74.822 0.192 1.092 1.00 0.00 O ATOM 132 CB LEU A 9 72.323 1.128 -0.820 1.00 0.00 C ATOM 133 CG LEU A 9 71.983 -0.344 -0.545 1.00 0.00 C ATOM 134 CD1 LEU A 9 70.623 -0.440 0.149 1.00 0.00 C ATOM 135 CD2 LEU A 9 71.934 -1.120 -1.865 1.00 0.00 C ATOM 0 H LEU A 9 72.952 3.533 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 9 72.784 1.715 1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 9 71.395 1.698 -0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 9 72.796 1.201 -1.800 1.00 0.00 H new ATOM 0 HG LEU A 9 72.751 -0.771 0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 9 70.386 -1.486 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 9 70.657 0.104 1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 9 69.856 -0.007 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 9 71.692 -2.164 -1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 9 71.171 -0.689 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 9 72.904 -1.060 -2.358 1.00 0.00 H new ATOM 147 N LEU A 10 75.413 1.322 -0.764 1.00 0.00 N ATOM 148 CA LEU A 10 76.710 0.652 -0.878 1.00 0.00 C ATOM 149 C LEU A 10 77.543 0.799 0.400 1.00 0.00 C ATOM 150 O LEU A 10 77.929 -0.194 1.015 1.00 0.00 O ATOM 151 CB LEU A 10 77.494 1.203 -2.075 1.00 0.00 C ATOM 152 CG LEU A 10 77.885 0.154 -3.120 1.00 0.00 C ATOM 153 CD1 LEU A 10 78.699 -0.955 -2.449 1.00 0.00 C ATOM 154 CD2 LEU A 10 76.619 -0.446 -3.739 1.00 0.00 C ATOM 0 H LEU A 10 75.225 2.012 -1.491 1.00 0.00 H new ATOM 0 HA LEU A 10 76.513 -0.409 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 10 76.896 1.974 -2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.400 1.686 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 10 78.484 0.624 -3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 10 78.978 -1.702 -3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 10 79.600 -0.529 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 10 78.100 -1.425 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 10 76.896 -1.193 -4.483 1.00 0.00 H new ATOM 0 HD22 LEU A 10 76.020 -0.916 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.038 0.343 -4.216 1.00 0.00 H new ATOM 166 N THR A 11 77.830 2.042 0.786 1.00 0.00 N ATOM 167 CA THR A 11 78.636 2.297 1.988 1.00 0.00 C ATOM 168 C THR A 11 78.064 1.552 3.201 1.00 0.00 C ATOM 169 O THR A 11 78.792 0.967 3.997 1.00 0.00 O ATOM 170 CB THR A 11 78.729 3.819 2.260 1.00 0.00 C ATOM 171 OG1 THR A 11 79.982 4.107 2.864 1.00 0.00 O ATOM 172 CG2 THR A 11 77.600 4.313 3.181 1.00 0.00 C ATOM 0 H THR A 11 77.523 2.881 0.294 1.00 0.00 H new ATOM 0 HA THR A 11 79.643 1.919 1.815 1.00 0.00 H new ATOM 0 HB THR A 11 78.630 4.335 1.305 1.00 0.00 H new ATOM 0 HG1 THR A 11 80.048 5.069 3.037 1.00 0.00 H new ATOM 0 HG21 THR A 11 77.706 5.386 3.344 1.00 0.00 H new ATOM 0 HG22 THR A 11 76.636 4.110 2.715 1.00 0.00 H new ATOM 0 HG23 THR A 11 77.657 3.794 4.138 1.00 0.00 H new ATOM 180 N LEU A 12 76.747 1.587 3.319 1.00 0.00 N ATOM 181 CA LEU A 12 76.082 0.907 4.422 1.00 0.00 C ATOM 182 C LEU A 12 76.292 -0.589 4.287 1.00 0.00 C ATOM 183 O LEU A 12 76.628 -1.283 5.247 1.00 0.00 O ATOM 184 CB LEU A 12 74.585 1.195 4.406 1.00 0.00 C ATOM 185 CG LEU A 12 74.223 2.675 4.454 1.00 0.00 C ATOM 186 CD1 LEU A 12 72.836 2.900 3.834 1.00 0.00 C ATOM 187 CD2 LEU A 12 74.224 3.135 5.911 1.00 0.00 C ATOM 0 H LEU A 12 76.122 2.072 2.675 1.00 0.00 H new ATOM 0 HA LEU A 12 76.505 1.269 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 12 74.154 0.758 3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 12 74.123 0.694 5.256 1.00 0.00 H new ATOM 0 HG LEU A 12 74.953 3.250 3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 12 72.587 3.961 3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 12 72.843 2.567 2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 12 72.092 2.332 4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 12 73.966 4.193 5.959 1.00 0.00 H new ATOM 0 HD22 LEU A 12 73.492 2.557 6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 12 75.215 2.983 6.340 1.00 0.00 H new ATOM 199 N LEU A 13 76.080 -1.069 3.071 1.00 0.00 N ATOM 200 CA LEU A 13 76.239 -2.491 2.785 1.00 0.00 C ATOM 201 C LEU A 13 77.675 -2.940 3.039 1.00 0.00 C ATOM 202 O LEU A 13 77.910 -3.946 3.708 1.00 0.00 O ATOM 203 CB LEU A 13 75.840 -2.808 1.335 1.00 0.00 C ATOM 204 CG LEU A 13 74.634 -3.741 1.197 1.00 0.00 C ATOM 205 CD1 LEU A 13 74.367 -4.031 -0.283 1.00 0.00 C ATOM 206 CD2 LEU A 13 74.915 -5.058 1.933 1.00 0.00 C ATOM 0 H LEU A 13 75.800 -0.502 2.271 1.00 0.00 H new ATOM 0 HA LEU A 13 75.577 -3.039 3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 13 75.621 -1.873 0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 13 76.692 -3.260 0.828 1.00 0.00 H new ATOM 0 HG LEU A 13 73.759 -3.259 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 13 73.508 -4.695 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 13 74.161 -3.097 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 13 75.242 -4.507 -0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 13 74.055 -5.721 1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 13 75.794 -5.536 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 13 75.096 -4.854 2.988 1.00 0.00 H new ATOM 218 N ARG A 14 78.637 -2.191 2.501 1.00 0.00 N ATOM 219 CA ARG A 14 80.036 -2.549 2.694 1.00 0.00 C ATOM 220 C ARG A 14 80.446 -2.322 4.148 1.00 0.00 C ATOM 221 O ARG A 14 81.304 -3.027 4.678 1.00 0.00 O ATOM 222 CB ARG A 14 80.958 -1.754 1.758 1.00 0.00 C ATOM 223 CG ARG A 14 80.814 -0.256 2.023 1.00 0.00 C ATOM 224 CD ARG A 14 81.897 0.197 3.008 1.00 0.00 C ATOM 225 NE ARG A 14 82.022 1.657 3.016 1.00 0.00 N ATOM 226 CZ ARG A 14 82.813 2.300 3.887 1.00 0.00 C ATOM 227 NH1 ARG A 14 83.518 1.643 4.778 1.00 0.00 N ATOM 228 NH2 ARG A 14 82.884 3.602 3.849 1.00 0.00 N ATOM 0 H ARG A 14 78.477 -1.353 1.942 1.00 0.00 H new ATOM 0 HA ARG A 14 80.142 -3.606 2.451 1.00 0.00 H new ATOM 0 HB2 ARG A 14 81.993 -2.060 1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 14 80.710 -1.973 0.719 1.00 0.00 H new ATOM 0 HG2 ARG A 14 80.902 0.299 1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 14 79.826 -0.041 2.429 1.00 0.00 H new ATOM 0 HD2 ARG A 14 81.653 -0.156 4.010 1.00 0.00 H new ATOM 0 HD3 ARG A 14 82.852 -0.252 2.736 1.00 0.00 H new ATOM 0 HE ARG A 14 81.490 2.202 2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 14 83.470 0.625 4.816 1.00 0.00 H new ATOM 0 HH12 ARG A 14 84.114 2.151 5.432 1.00 0.00 H new ATOM 0 HH21 ARG A 14 82.340 4.123 3.161 1.00 0.00 H new ATOM 0 HH22 ARG A 14 83.483 4.100 4.508 1.00 0.00 H new ATOM 242 N GLU A 15 79.816 -1.338 4.797 1.00 0.00 N ATOM 243 CA GLU A 15 80.130 -1.054 6.197 1.00 0.00 C ATOM 244 C GLU A 15 79.784 -2.264 7.063 1.00 0.00 C ATOM 245 O GLU A 15 80.609 -2.751 7.836 1.00 0.00 O ATOM 246 CB GLU A 15 79.346 0.169 6.697 1.00 0.00 C ATOM 247 CG GLU A 15 79.751 0.504 8.140 1.00 0.00 C ATOM 248 CD GLU A 15 80.697 1.701 8.147 1.00 0.00 C ATOM 249 OE1 GLU A 15 80.373 2.691 7.512 1.00 0.00 O ATOM 250 OE2 GLU A 15 81.731 1.612 8.789 1.00 0.00 O ATOM 0 H GLU A 15 79.101 -0.738 4.385 1.00 0.00 H new ATOM 0 HA GLU A 15 81.196 -0.841 6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 15 79.540 1.024 6.049 1.00 0.00 H new ATOM 0 HB3 GLU A 15 78.276 -0.031 6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 15 78.864 0.726 8.734 1.00 0.00 H new ATOM 0 HG3 GLU A 15 80.236 -0.357 8.601 1.00 0.00 H new ATOM 257 N CYS A 16 78.554 -2.743 6.917 1.00 0.00 N ATOM 258 CA CYS A 16 78.099 -3.900 7.678 1.00 0.00 C ATOM 259 C CYS A 16 78.781 -5.162 7.170 1.00 0.00 C ATOM 260 O CYS A 16 79.112 -6.065 7.939 1.00 0.00 O ATOM 261 CB CYS A 16 76.589 -4.060 7.532 1.00 0.00 C ATOM 262 SG CYS A 16 75.911 -4.808 9.034 1.00 0.00 S ATOM 0 H CYS A 16 77.858 -2.351 6.283 1.00 0.00 H new ATOM 0 HA CYS A 16 78.352 -3.745 8.727 1.00 0.00 H new ATOM 0 HB2 CYS A 16 76.125 -3.089 7.356 1.00 0.00 H new ATOM 0 HB3 CYS A 16 76.361 -4.684 6.668 1.00 0.00 H new ATOM 0 HG CYS A 16 75.393 -3.882 9.784 1.00 0.00 H new ATOM 268 N ALA A 17 78.988 -5.209 5.858 1.00 0.00 N ATOM 269 CA ALA A 17 79.636 -6.362 5.233 1.00 0.00 C ATOM 270 C ALA A 17 81.023 -6.592 5.830 1.00 0.00 C ATOM 271 O ALA A 17 81.505 -7.723 5.898 1.00 0.00 O ATOM 272 CB ALA A 17 79.774 -6.145 3.725 1.00 0.00 C ATOM 0 H ALA A 17 78.720 -4.469 5.209 1.00 0.00 H new ATOM 0 HA ALA A 17 79.013 -7.236 5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 17 80.258 -7.012 3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 17 78.786 -6.012 3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 17 80.377 -5.256 3.539 1.00 0.00 H new ATOM 417 N VAL A 29 76.952 -3.200 -10.637 1.00 0.00 N ATOM 418 CA VAL A 29 76.235 -4.350 -10.072 1.00 0.00 C ATOM 419 C VAL A 29 75.000 -3.868 -9.309 1.00 0.00 C ATOM 420 O VAL A 29 74.563 -4.496 -8.346 1.00 0.00 O ATOM 421 CB VAL A 29 77.128 -5.201 -9.122 1.00 0.00 C ATOM 422 CG1 VAL A 29 77.268 -6.620 -9.683 1.00 0.00 C ATOM 423 CG2 VAL A 29 78.533 -4.593 -8.970 1.00 0.00 C ATOM 0 HA VAL A 29 75.942 -4.986 -10.907 1.00 0.00 H new ATOM 0 HB VAL A 29 76.647 -5.219 -8.144 1.00 0.00 H new ATOM 0 HG11 VAL A 29 77.893 -7.215 -9.017 1.00 0.00 H new ATOM 0 HG12 VAL A 29 76.283 -7.079 -9.761 1.00 0.00 H new ATOM 0 HG13 VAL A 29 77.728 -6.577 -10.670 1.00 0.00 H new ATOM 0 HG21 VAL A 29 79.128 -5.214 -8.300 1.00 0.00 H new ATOM 0 HG22 VAL A 29 79.017 -4.546 -9.946 1.00 0.00 H new ATOM 0 HG23 VAL A 29 78.452 -3.588 -8.556 1.00 0.00 H new ATOM 433 N GLU A 30 74.444 -2.744 -9.757 1.00 0.00 N ATOM 434 CA GLU A 30 73.261 -2.178 -9.123 1.00 0.00 C ATOM 435 C GLU A 30 72.010 -2.961 -9.519 1.00 0.00 C ATOM 436 O GLU A 30 71.047 -3.051 -8.759 1.00 0.00 O ATOM 437 CB GLU A 30 73.092 -0.714 -9.539 1.00 0.00 C ATOM 438 CG GLU A 30 72.961 -0.610 -11.067 1.00 0.00 C ATOM 439 CD GLU A 30 73.764 0.585 -11.573 1.00 0.00 C ATOM 440 OE1 GLU A 30 74.978 0.549 -11.454 1.00 0.00 O ATOM 441 OE2 GLU A 30 73.155 1.515 -12.073 1.00 0.00 O ATOM 0 H GLU A 30 74.794 -2.211 -10.553 1.00 0.00 H new ATOM 0 HA GLU A 30 73.392 -2.240 -8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 30 72.208 -0.292 -9.061 1.00 0.00 H new ATOM 0 HB3 GLU A 30 73.948 -0.130 -9.199 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.320 -1.526 -11.535 1.00 0.00 H new ATOM 0 HG3 GLU A 30 71.913 -0.500 -11.345 1.00 0.00 H new ATOM 448 N ASP A 31 72.037 -3.525 -10.721 1.00 0.00 N ATOM 449 CA ASP A 31 70.905 -4.296 -11.214 1.00 0.00 C ATOM 450 C ASP A 31 71.218 -5.793 -11.194 1.00 0.00 C ATOM 451 O ASP A 31 70.622 -6.575 -11.935 1.00 0.00 O ATOM 452 CB ASP A 31 70.558 -3.867 -12.640 1.00 0.00 C ATOM 453 CG ASP A 31 69.734 -2.585 -12.599 1.00 0.00 C ATOM 454 OD1 ASP A 31 68.782 -2.541 -11.836 1.00 0.00 O ATOM 455 OD2 ASP A 31 70.066 -1.667 -13.330 1.00 0.00 O ATOM 0 H ASP A 31 72.824 -3.463 -11.367 1.00 0.00 H new ATOM 0 HA ASP A 31 70.054 -4.106 -10.560 1.00 0.00 H new ATOM 0 HB2 ASP A 31 71.470 -3.707 -13.215 1.00 0.00 H new ATOM 0 HB3 ASP A 31 69.998 -4.656 -13.142 1.00 0.00 H new ATOM 460 N VAL A 32 72.148 -6.188 -10.322 1.00 0.00 N ATOM 461 CA VAL A 32 72.518 -7.594 -10.198 1.00 0.00 C ATOM 462 C VAL A 32 72.071 -8.122 -8.837 1.00 0.00 C ATOM 463 O VAL A 32 72.163 -7.423 -7.828 1.00 0.00 O ATOM 464 CB VAL A 32 74.031 -7.767 -10.332 1.00 0.00 C ATOM 465 CG1 VAL A 32 74.367 -9.256 -10.397 1.00 0.00 C ATOM 466 CG2 VAL A 32 74.513 -7.084 -11.613 1.00 0.00 C ATOM 0 H VAL A 32 72.653 -5.559 -9.698 1.00 0.00 H new ATOM 0 HA VAL A 32 72.027 -8.153 -10.994 1.00 0.00 H new ATOM 0 HB VAL A 32 74.525 -7.316 -9.471 1.00 0.00 H new ATOM 0 HG11 VAL A 32 75.445 -9.382 -10.493 1.00 0.00 H new ATOM 0 HG12 VAL A 32 74.024 -9.747 -9.486 1.00 0.00 H new ATOM 0 HG13 VAL A 32 73.872 -9.703 -11.259 1.00 0.00 H new ATOM 0 HG21 VAL A 32 75.592 -7.208 -11.708 1.00 0.00 H new ATOM 0 HG22 VAL A 32 74.019 -7.535 -12.474 1.00 0.00 H new ATOM 0 HG23 VAL A 32 74.272 -6.022 -11.572 1.00 0.00 H new ATOM 476 N ALA A 33 71.570 -9.356 -8.819 1.00 0.00 N ATOM 477 CA ALA A 33 71.089 -9.961 -7.573 1.00 0.00 C ATOM 478 C ALA A 33 72.161 -9.929 -6.484 1.00 0.00 C ATOM 479 O ALA A 33 73.359 -9.992 -6.766 1.00 0.00 O ATOM 480 CB ALA A 33 70.671 -11.413 -7.807 1.00 0.00 C ATOM 0 H ALA A 33 71.486 -9.953 -9.642 1.00 0.00 H new ATOM 0 HA ALA A 33 70.231 -9.375 -7.243 1.00 0.00 H new ATOM 0 HB1 ALA A 33 70.317 -11.845 -6.871 1.00 0.00 H new ATOM 0 HB2 ALA A 33 69.872 -11.447 -8.547 1.00 0.00 H new ATOM 0 HB3 ALA A 33 71.526 -11.984 -8.170 1.00 0.00 H new ATOM 486 N PHE A 34 71.707 -9.831 -5.234 1.00 0.00 N ATOM 487 CA PHE A 34 72.623 -9.792 -4.089 1.00 0.00 C ATOM 488 C PHE A 34 73.537 -11.017 -4.081 1.00 0.00 C ATOM 489 O PHE A 34 74.673 -10.957 -3.613 1.00 0.00 O ATOM 490 CB PHE A 34 71.838 -9.762 -2.776 1.00 0.00 C ATOM 491 CG PHE A 34 71.154 -8.424 -2.614 1.00 0.00 C ATOM 492 CD1 PHE A 34 71.910 -7.269 -2.371 1.00 0.00 C ATOM 493 CD2 PHE A 34 69.761 -8.341 -2.699 1.00 0.00 C ATOM 494 CE1 PHE A 34 71.271 -6.034 -2.215 1.00 0.00 C ATOM 495 CE2 PHE A 34 69.122 -7.105 -2.545 1.00 0.00 C ATOM 496 CZ PHE A 34 69.876 -5.953 -2.303 1.00 0.00 C ATOM 0 H PHE A 34 70.719 -9.777 -4.988 1.00 0.00 H new ATOM 0 HA PHE A 34 73.226 -8.889 -4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 34 71.098 -10.562 -2.767 1.00 0.00 H new ATOM 0 HB3 PHE A 34 72.510 -9.940 -1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 34 72.986 -7.332 -2.304 1.00 0.00 H new ATOM 0 HD2 PHE A 34 69.178 -9.231 -2.884 1.00 0.00 H new ATOM 0 HE1 PHE A 34 71.853 -5.144 -2.027 1.00 0.00 H new ATOM 0 HE2 PHE A 34 68.046 -7.041 -2.613 1.00 0.00 H new ATOM 0 HZ PHE A 34 69.382 -5.000 -2.184 1.00 0.00 H new ATOM 506 N ASP A 35 73.026 -12.130 -4.605 1.00 0.00 N ATOM 507 CA ASP A 35 73.805 -13.367 -4.650 1.00 0.00 C ATOM 508 C ASP A 35 75.079 -13.167 -5.467 1.00 0.00 C ATOM 509 O ASP A 35 76.146 -13.668 -5.114 1.00 0.00 O ATOM 510 CB ASP A 35 72.983 -14.500 -5.273 1.00 0.00 C ATOM 511 CG ASP A 35 73.740 -15.817 -5.137 1.00 0.00 C ATOM 512 OD1 ASP A 35 73.668 -16.412 -4.073 1.00 0.00 O ATOM 513 OD2 ASP A 35 74.381 -16.213 -6.097 1.00 0.00 O ATOM 0 H ASP A 35 72.088 -12.202 -5.000 1.00 0.00 H new ATOM 0 HA ASP A 35 74.069 -13.634 -3.627 1.00 0.00 H new ATOM 0 HB2 ASP A 35 72.014 -14.573 -4.779 1.00 0.00 H new ATOM 0 HB3 ASP A 35 72.790 -14.287 -6.324 1.00 0.00 H new ATOM 518 N ALA A 36 74.952 -12.426 -6.562 1.00 0.00 N ATOM 519 CA ALA A 36 76.096 -12.160 -7.426 1.00 0.00 C ATOM 520 C ALA A 36 77.059 -11.187 -6.753 1.00 0.00 C ATOM 521 O ALA A 36 78.278 -11.345 -6.831 1.00 0.00 O ATOM 522 CB ALA A 36 75.634 -11.568 -8.760 1.00 0.00 C ATOM 0 H ALA A 36 74.077 -12.002 -6.871 1.00 0.00 H new ATOM 0 HA ALA A 36 76.607 -13.105 -7.608 1.00 0.00 H new ATOM 0 HB1 ALA A 36 76.501 -11.376 -9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 36 74.969 -12.272 -9.260 1.00 0.00 H new ATOM 0 HB3 ALA A 36 75.103 -10.634 -8.579 1.00 0.00 H new ATOM 528 N LEU A 37 76.498 -10.178 -6.089 1.00 0.00 N ATOM 529 CA LEU A 37 77.316 -9.179 -5.401 1.00 0.00 C ATOM 530 C LEU A 37 78.205 -9.845 -4.354 1.00 0.00 C ATOM 531 O LEU A 37 79.338 -9.425 -4.120 1.00 0.00 O ATOM 532 CB LEU A 37 76.433 -8.136 -4.710 1.00 0.00 C ATOM 533 CG LEU A 37 75.227 -7.649 -5.521 1.00 0.00 C ATOM 534 CD1 LEU A 37 74.568 -6.473 -4.795 1.00 0.00 C ATOM 535 CD2 LEU A 37 75.686 -7.193 -6.908 1.00 0.00 C ATOM 0 H LEU A 37 75.492 -10.030 -6.012 1.00 0.00 H new ATOM 0 HA LEU A 37 77.937 -8.687 -6.150 1.00 0.00 H new ATOM 0 HB2 LEU A 37 76.072 -8.556 -3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 37 77.050 -7.274 -4.457 1.00 0.00 H new ATOM 0 HG LEU A 37 74.512 -8.465 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 37 73.710 -6.125 -5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 37 74.237 -6.795 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 37 75.288 -5.661 -4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 37 74.825 -6.848 -7.481 1.00 0.00 H new ATOM 0 HD22 LEU A 37 76.403 -6.379 -6.804 1.00 0.00 H new ATOM 0 HD23 LEU A 37 76.157 -8.027 -7.428 1.00 0.00 H new ATOM 547 N GLY A 38 77.676 -10.894 -3.732 1.00 0.00 N ATOM 548 CA GLY A 38 78.426 -11.624 -2.714 1.00 0.00 C ATOM 549 C GLY A 38 77.807 -11.448 -1.328 1.00 0.00 C ATOM 550 O GLY A 38 78.480 -11.617 -0.312 1.00 0.00 O ATOM 0 H GLY A 38 76.739 -11.256 -3.912 1.00 0.00 H new ATOM 0 HA2 GLY A 38 78.452 -12.683 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 38 79.458 -11.274 -2.700 1.00 0.00 H new ATOM 554 N TYR A 39 76.517 -11.112 -1.290 1.00 0.00 N ATOM 555 CA TYR A 39 75.833 -10.927 -0.014 1.00 0.00 C ATOM 556 C TYR A 39 75.020 -12.168 0.337 1.00 0.00 C ATOM 557 O TYR A 39 74.372 -12.766 -0.522 1.00 0.00 O ATOM 558 CB TYR A 39 74.892 -9.724 -0.075 1.00 0.00 C ATOM 559 CG TYR A 39 75.691 -8.465 -0.307 1.00 0.00 C ATOM 560 CD1 TYR A 39 76.597 -8.020 0.663 1.00 0.00 C ATOM 561 CD2 TYR A 39 75.524 -7.741 -1.493 1.00 0.00 C ATOM 562 CE1 TYR A 39 77.334 -6.850 0.447 1.00 0.00 C ATOM 563 CE2 TYR A 39 76.261 -6.572 -1.709 1.00 0.00 C ATOM 564 CZ TYR A 39 77.167 -6.126 -0.739 1.00 0.00 C ATOM 565 OH TYR A 39 77.894 -4.973 -0.953 1.00 0.00 O ATOM 0 H TYR A 39 75.935 -10.965 -2.114 1.00 0.00 H new ATOM 0 HA TYR A 39 76.592 -10.755 0.749 1.00 0.00 H new ATOM 0 HB2 TYR A 39 74.166 -9.858 -0.877 1.00 0.00 H new ATOM 0 HB3 TYR A 39 74.329 -9.643 0.855 1.00 0.00 H new ATOM 0 HD1 TYR A 39 76.727 -8.579 1.578 1.00 0.00 H new ATOM 0 HD2 TYR A 39 74.826 -8.085 -2.242 1.00 0.00 H new ATOM 0 HE1 TYR A 39 78.032 -6.506 1.196 1.00 0.00 H new ATOM 0 HE2 TYR A 39 76.131 -6.013 -2.624 1.00 0.00 H new ATOM 0 HH TYR A 39 77.658 -4.595 -1.826 1.00 0.00 H new ATOM 575 N ASP A 40 75.054 -12.542 1.612 1.00 0.00 N ATOM 576 CA ASP A 40 74.307 -13.711 2.070 1.00 0.00 C ATOM 577 C ASP A 40 72.863 -13.324 2.356 1.00 0.00 C ATOM 578 O ASP A 40 71.948 -13.673 1.609 1.00 0.00 O ATOM 579 CB ASP A 40 74.939 -14.288 3.340 1.00 0.00 C ATOM 580 CG ASP A 40 76.213 -15.044 2.978 1.00 0.00 C ATOM 581 OD1 ASP A 40 76.144 -15.898 2.110 1.00 0.00 O ATOM 582 OD2 ASP A 40 77.239 -14.758 3.574 1.00 0.00 O ATOM 0 H ASP A 40 75.583 -12.061 2.339 1.00 0.00 H new ATOM 0 HA ASP A 40 74.335 -14.467 1.285 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.167 -13.486 4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 40 74.236 -14.956 3.837 1.00 0.00 H new ATOM 587 N SER A 41 72.678 -12.591 3.445 1.00 0.00 N ATOM 588 CA SER A 41 71.352 -12.135 3.851 1.00 0.00 C ATOM 589 C SER A 41 71.461 -11.410 5.182 1.00 0.00 C ATOM 590 O SER A 41 70.872 -10.348 5.387 1.00 0.00 O ATOM 591 CB SER A 41 70.384 -13.317 4.003 1.00 0.00 C ATOM 592 OG SER A 41 69.100 -12.933 3.532 1.00 0.00 O ATOM 0 H SER A 41 73.431 -12.297 4.067 1.00 0.00 H new ATOM 0 HA SER A 41 70.966 -11.467 3.081 1.00 0.00 H new ATOM 0 HB2 SER A 41 70.749 -14.176 3.440 1.00 0.00 H new ATOM 0 HB3 SER A 41 70.325 -13.622 5.048 1.00 0.00 H new ATOM 0 HG SER A 41 68.479 -13.685 3.625 1.00 0.00 H new ATOM 598 N LEU A 42 72.241 -12.002 6.083 1.00 0.00 N ATOM 599 CA LEU A 42 72.450 -11.422 7.410 1.00 0.00 C ATOM 600 C LEU A 42 73.010 -10.007 7.295 1.00 0.00 C ATOM 601 O LEU A 42 72.703 -9.133 8.106 1.00 0.00 O ATOM 602 CB LEU A 42 73.424 -12.279 8.220 1.00 0.00 C ATOM 603 CG LEU A 42 72.793 -13.469 8.948 1.00 0.00 C ATOM 604 CD1 LEU A 42 73.896 -14.376 9.494 1.00 0.00 C ATOM 605 CD2 LEU A 42 71.935 -12.958 10.108 1.00 0.00 C ATOM 0 H LEU A 42 72.737 -12.878 5.921 1.00 0.00 H new ATOM 0 HA LEU A 42 71.486 -11.389 7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 42 74.199 -12.652 7.550 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.918 -11.644 8.955 1.00 0.00 H new ATOM 0 HG LEU A 42 72.170 -14.032 8.253 1.00 0.00 H new ATOM 0 HD11 LEU A 42 73.447 -15.223 10.012 1.00 0.00 H new ATOM 0 HD12 LEU A 42 74.510 -14.739 8.670 1.00 0.00 H new ATOM 0 HD13 LEU A 42 74.518 -13.813 10.190 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.485 -13.804 10.628 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.560 -12.396 10.802 1.00 0.00 H new ATOM 0 HD23 LEU A 42 71.149 -12.310 9.721 1.00 0.00 H new ATOM 617 N ALA A 43 73.832 -9.793 6.272 1.00 0.00 N ATOM 618 CA ALA A 43 74.426 -8.481 6.054 1.00 0.00 C ATOM 619 C ALA A 43 73.372 -7.500 5.565 1.00 0.00 C ATOM 620 O ALA A 43 73.292 -6.370 6.040 1.00 0.00 O ATOM 621 CB ALA A 43 75.551 -8.563 5.021 1.00 0.00 C ATOM 0 H ALA A 43 74.099 -10.502 5.589 1.00 0.00 H new ATOM 0 HA ALA A 43 74.835 -8.135 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 43 75.981 -7.573 4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 43 76.323 -9.245 5.377 1.00 0.00 H new ATOM 0 HB3 ALA A 43 75.151 -8.930 4.076 1.00 0.00 H new ATOM 627 N LEU A 44 72.555 -7.946 4.618 1.00 0.00 N ATOM 628 CA LEU A 44 71.501 -7.092 4.082 1.00 0.00 C ATOM 629 C LEU A 44 70.488 -6.776 5.173 1.00 0.00 C ATOM 630 O LEU A 44 70.012 -5.650 5.295 1.00 0.00 O ATOM 631 CB LEU A 44 70.792 -7.774 2.910 1.00 0.00 C ATOM 632 CG LEU A 44 71.702 -8.183 1.744 1.00 0.00 C ATOM 633 CD1 LEU A 44 70.847 -8.694 0.586 1.00 0.00 C ATOM 634 CD2 LEU A 44 72.527 -6.974 1.278 1.00 0.00 C ATOM 0 H LEU A 44 72.600 -8.880 4.210 1.00 0.00 H new ATOM 0 HA LEU A 44 71.957 -6.168 3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 44 70.283 -8.663 3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 44 70.023 -7.102 2.531 1.00 0.00 H new ATOM 0 HG LEU A 44 72.377 -8.972 2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 44 71.493 -8.985 -0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 44 70.268 -9.557 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 44 70.169 -7.906 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 44 73.171 -7.270 0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 44 71.856 -6.180 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 44 73.140 -6.612 2.103 1.00 0.00 H new ATOM 646 N LEU A 45 70.177 -7.790 5.977 1.00 0.00 N ATOM 647 CA LEU A 45 69.227 -7.629 7.079 1.00 0.00 C ATOM 648 C LEU A 45 69.657 -6.474 7.988 1.00 0.00 C ATOM 649 O LEU A 45 68.848 -5.628 8.374 1.00 0.00 O ATOM 650 CB LEU A 45 69.144 -8.941 7.885 1.00 0.00 C ATOM 651 CG LEU A 45 68.620 -8.838 9.327 1.00 0.00 C ATOM 652 CD1 LEU A 45 67.323 -8.025 9.349 1.00 0.00 C ATOM 653 CD2 LEU A 45 68.349 -10.243 9.871 1.00 0.00 C ATOM 0 H LEU A 45 70.566 -8.729 5.888 1.00 0.00 H new ATOM 0 HA LEU A 45 68.243 -7.397 6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 45 68.504 -9.634 7.340 1.00 0.00 H new ATOM 0 HB3 LEU A 45 70.140 -9.384 7.916 1.00 0.00 H new ATOM 0 HG LEU A 45 69.367 -8.342 9.947 1.00 0.00 H new ATOM 0 HD11 LEU A 45 66.955 -7.954 10.373 1.00 0.00 H new ATOM 0 HD12 LEU A 45 67.514 -7.024 8.962 1.00 0.00 H new ATOM 0 HD13 LEU A 45 66.575 -8.517 8.728 1.00 0.00 H new ATOM 0 HD21 LEU A 45 67.977 -10.172 10.893 1.00 0.00 H new ATOM 0 HD22 LEU A 45 67.604 -10.737 9.248 1.00 0.00 H new ATOM 0 HD23 LEU A 45 69.273 -10.822 9.860 1.00 0.00 H new ATOM 665 N ASN A 46 70.939 -6.458 8.324 1.00 0.00 N ATOM 666 CA ASN A 46 71.480 -5.416 9.189 1.00 0.00 C ATOM 667 C ASN A 46 71.453 -4.060 8.490 1.00 0.00 C ATOM 668 O ASN A 46 70.918 -3.085 9.018 1.00 0.00 O ATOM 669 CB ASN A 46 72.922 -5.740 9.570 1.00 0.00 C ATOM 670 CG ASN A 46 72.957 -7.007 10.414 1.00 0.00 C ATOM 671 OD1 ASN A 46 72.015 -7.298 11.152 1.00 0.00 O ATOM 672 ND2 ASN A 46 74.000 -7.784 10.348 1.00 0.00 N ATOM 0 H ASN A 46 71.621 -7.150 8.014 1.00 0.00 H new ATOM 0 HA ASN A 46 70.859 -5.373 10.084 1.00 0.00 H new ATOM 0 HB2 ASN A 46 73.525 -5.873 8.672 1.00 0.00 H new ATOM 0 HB3 ASN A 46 73.357 -4.909 10.125 1.00 0.00 H new ATOM 0 HD21 ASN A 46 74.038 -8.636 10.908 1.00 0.00 H new ATOM 0 HD22 ASN A 46 74.779 -7.541 9.736 1.00 0.00 H new ATOM 679 N THR A 47 72.052 -4.003 7.299 1.00 0.00 N ATOM 680 CA THR A 47 72.104 -2.749 6.542 1.00 0.00 C ATOM 681 C THR A 47 70.707 -2.170 6.326 1.00 0.00 C ATOM 682 O THR A 47 70.468 -0.990 6.578 1.00 0.00 O ATOM 683 CB THR A 47 72.771 -2.961 5.180 1.00 0.00 C ATOM 684 OG1 THR A 47 73.648 -4.074 5.250 1.00 0.00 O ATOM 685 CG2 THR A 47 73.570 -1.714 4.802 1.00 0.00 C ATOM 0 H THR A 47 72.502 -4.797 6.843 1.00 0.00 H new ATOM 0 HA THR A 47 72.693 -2.045 7.131 1.00 0.00 H new ATOM 0 HB THR A 47 72.004 -3.146 4.428 1.00 0.00 H new ATOM 0 HG1 THR A 47 73.138 -4.901 5.119 1.00 0.00 H new ATOM 0 HG21 THR A 47 74.044 -1.866 3.832 1.00 0.00 H new ATOM 0 HG22 THR A 47 72.901 -0.855 4.748 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.336 -1.530 5.556 1.00 0.00 H new ATOM 693 N VAL A 48 69.787 -3.013 5.863 1.00 0.00 N ATOM 694 CA VAL A 48 68.412 -2.568 5.622 1.00 0.00 C ATOM 695 C VAL A 48 67.792 -2.044 6.916 1.00 0.00 C ATOM 696 O VAL A 48 66.969 -1.128 6.898 1.00 0.00 O ATOM 697 CB VAL A 48 67.559 -3.717 5.070 1.00 0.00 C ATOM 698 CG1 VAL A 48 66.151 -3.213 4.741 1.00 0.00 C ATOM 699 CG2 VAL A 48 68.208 -4.257 3.794 1.00 0.00 C ATOM 0 H VAL A 48 69.962 -3.995 5.649 1.00 0.00 H new ATOM 0 HA VAL A 48 68.439 -1.765 4.885 1.00 0.00 H new ATOM 0 HB VAL A 48 67.493 -4.506 5.819 1.00 0.00 H new ATOM 0 HG11 VAL A 48 65.552 -4.036 4.350 1.00 0.00 H new ATOM 0 HG12 VAL A 48 65.684 -2.822 5.645 1.00 0.00 H new ATOM 0 HG13 VAL A 48 66.213 -2.422 3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 48 67.606 -5.074 3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 48 68.272 -3.460 3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 48 69.210 -4.622 4.022 1.00 0.00 H new ATOM 709 N GLY A 49 68.204 -2.625 8.038 1.00 0.00 N ATOM 710 CA GLY A 49 67.690 -2.193 9.334 1.00 0.00 C ATOM 711 C GLY A 49 68.071 -0.739 9.589 1.00 0.00 C ATOM 712 O GLY A 49 67.290 0.042 10.137 1.00 0.00 O ATOM 0 H GLY A 49 68.883 -3.386 8.078 1.00 0.00 H new ATOM 0 HA2 GLY A 49 66.606 -2.303 9.359 1.00 0.00 H new ATOM 0 HA3 GLY A 49 68.093 -2.827 10.124 1.00 0.00 H new ATOM 716 N ARG A 50 69.284 -0.382 9.170 1.00 0.00 N ATOM 717 CA ARG A 50 69.767 0.981 9.345 1.00 0.00 C ATOM 718 C ARG A 50 68.955 1.937 8.482 1.00 0.00 C ATOM 719 O ARG A 50 68.655 3.056 8.888 1.00 0.00 O ATOM 720 CB ARG A 50 71.243 1.083 8.955 1.00 0.00 C ATOM 721 CG ARG A 50 71.842 2.358 9.554 1.00 0.00 C ATOM 722 CD ARG A 50 72.271 2.091 10.998 1.00 0.00 C ATOM 723 NE ARG A 50 73.461 2.876 11.338 1.00 0.00 N ATOM 724 CZ ARG A 50 74.690 2.517 10.941 1.00 0.00 C ATOM 725 NH1 ARG A 50 74.884 1.435 10.224 1.00 0.00 N ATOM 726 NH2 ARG A 50 75.712 3.255 11.274 1.00 0.00 N ATOM 0 H ARG A 50 69.942 -1.012 8.712 1.00 0.00 H new ATOM 0 HA ARG A 50 69.656 1.250 10.395 1.00 0.00 H new ATOM 0 HB2 ARG A 50 71.786 0.209 9.315 1.00 0.00 H new ATOM 0 HB3 ARG A 50 71.343 1.096 7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 50 72.699 2.682 8.963 1.00 0.00 H new ATOM 0 HG3 ARG A 50 71.110 3.165 9.524 1.00 0.00 H new ATOM 0 HD2 ARG A 50 71.457 2.343 11.677 1.00 0.00 H new ATOM 0 HD3 ARG A 50 72.479 1.029 11.130 1.00 0.00 H new ATOM 0 HE ARG A 50 73.350 3.723 11.895 1.00 0.00 H new ATOM 0 HH11 ARG A 50 74.092 0.850 9.959 1.00 0.00 H new ATOM 0 HH12 ARG A 50 75.827 1.179 9.932 1.00 0.00 H new ATOM 0 HH21 ARG A 50 75.573 4.097 11.832 1.00 0.00 H new ATOM 0 HH22 ARG A 50 76.651 2.990 10.977 1.00 0.00 H new ATOM 740 N ILE A 51 68.601 1.478 7.285 1.00 0.00 N ATOM 741 CA ILE A 51 67.815 2.303 6.370 1.00 0.00 C ATOM 742 C ILE A 51 66.444 2.590 6.962 1.00 0.00 C ATOM 743 O ILE A 51 66.026 3.740 7.076 1.00 0.00 O ATOM 744 CB ILE A 51 67.619 1.603 5.016 1.00 0.00 C ATOM 745 CG1 ILE A 51 68.950 1.033 4.494 1.00 0.00 C ATOM 746 CG2 ILE A 51 67.074 2.611 4.003 1.00 0.00 C ATOM 747 CD1 ILE A 51 70.013 2.134 4.421 1.00 0.00 C ATOM 0 H ILE A 51 68.841 0.553 6.929 1.00 0.00 H new ATOM 0 HA ILE A 51 68.364 3.232 6.220 1.00 0.00 H new ATOM 0 HB ILE A 51 66.916 0.781 5.149 1.00 0.00 H new ATOM 0 HG12 ILE A 51 69.292 0.232 5.150 1.00 0.00 H new ATOM 0 HG13 ILE A 51 68.803 0.595 3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 51 66.933 2.119 3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 51 66.119 3.000 4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 51 67.781 3.433 3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 51 70.948 1.713 4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 51 69.676 2.921 3.746 1.00 0.00 H new ATOM 0 HD13 ILE A 51 70.173 2.552 5.415 1.00 0.00 H new ATOM 759 N GLU A 52 65.743 1.523 7.327 1.00 0.00 N ATOM 760 CA GLU A 52 64.405 1.661 7.894 1.00 0.00 C ATOM 761 C GLU A 52 64.415 2.521 9.158 1.00 0.00 C ATOM 762 O GLU A 52 63.397 3.105 9.526 1.00 0.00 O ATOM 763 CB GLU A 52 63.821 0.287 8.231 1.00 0.00 C ATOM 764 CG GLU A 52 64.763 -0.452 9.184 1.00 0.00 C ATOM 765 CD GLU A 52 64.135 -1.780 9.594 1.00 0.00 C ATOM 766 OE1 GLU A 52 64.209 -2.714 8.812 1.00 0.00 O ATOM 767 OE2 GLU A 52 63.587 -1.844 10.682 1.00 0.00 O ATOM 0 H GLU A 52 66.073 0.562 7.242 1.00 0.00 H new ATOM 0 HA GLU A 52 63.787 2.152 7.142 1.00 0.00 H new ATOM 0 HB2 GLU A 52 62.839 0.401 8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 52 63.681 -0.293 7.319 1.00 0.00 H new ATOM 0 HG2 GLU A 52 65.724 -0.626 8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 52 64.957 0.158 10.066 1.00 0.00 H new ATOM 774 N ARG A 53 65.564 2.591 9.827 1.00 0.00 N ATOM 775 CA ARG A 53 65.658 3.384 11.051 1.00 0.00 C ATOM 776 C ARG A 53 66.153 4.797 10.757 1.00 0.00 C ATOM 777 O ARG A 53 65.601 5.779 11.252 1.00 0.00 O ATOM 778 CB ARG A 53 66.607 2.719 12.050 1.00 0.00 C ATOM 779 CG ARG A 53 66.152 3.036 13.476 1.00 0.00 C ATOM 780 CD ARG A 53 65.019 2.088 13.873 1.00 0.00 C ATOM 781 NE ARG A 53 64.741 2.187 15.307 1.00 0.00 N ATOM 782 CZ ARG A 53 65.519 1.598 16.228 1.00 0.00 C ATOM 783 NH1 ARG A 53 66.575 0.901 15.880 1.00 0.00 N ATOM 784 NH2 ARG A 53 65.220 1.720 17.492 1.00 0.00 N ATOM 0 H ARG A 53 66.425 2.120 9.551 1.00 0.00 H new ATOM 0 HA ARG A 53 64.658 3.442 11.480 1.00 0.00 H new ATOM 0 HB2 ARG A 53 66.620 1.641 11.893 1.00 0.00 H new ATOM 0 HB3 ARG A 53 67.625 3.076 11.894 1.00 0.00 H new ATOM 0 HG2 ARG A 53 66.988 2.930 14.168 1.00 0.00 H new ATOM 0 HG3 ARG A 53 65.814 4.070 13.540 1.00 0.00 H new ATOM 0 HD2 ARG A 53 64.120 2.330 13.306 1.00 0.00 H new ATOM 0 HD3 ARG A 53 65.290 1.063 13.620 1.00 0.00 H new ATOM 0 HE ARG A 53 63.929 2.721 15.616 1.00 0.00 H new ATOM 0 HH11 ARG A 53 66.817 0.799 14.894 1.00 0.00 H new ATOM 0 HH12 ARG A 53 67.154 0.461 16.595 1.00 0.00 H new ATOM 0 HH21 ARG A 53 64.401 2.259 17.773 1.00 0.00 H new ATOM 0 HH22 ARG A 53 65.805 1.276 18.200 1.00 0.00 H new ATOM 798 N ASP A 54 67.204 4.887 9.954 1.00 0.00 N ATOM 799 CA ASP A 54 67.779 6.180 9.605 1.00 0.00 C ATOM 800 C ASP A 54 66.862 6.951 8.662 1.00 0.00 C ATOM 801 O ASP A 54 66.765 8.177 8.734 1.00 0.00 O ATOM 802 CB ASP A 54 69.135 5.992 8.926 1.00 0.00 C ATOM 803 CG ASP A 54 70.206 5.743 9.984 1.00 0.00 C ATOM 804 OD1 ASP A 54 69.916 5.040 10.937 1.00 0.00 O ATOM 805 OD2 ASP A 54 71.299 6.260 9.824 1.00 0.00 O ATOM 0 H ASP A 54 67.674 4.085 9.534 1.00 0.00 H new ATOM 0 HA ASP A 54 67.901 6.746 10.529 1.00 0.00 H new ATOM 0 HB2 ASP A 54 69.093 5.152 8.232 1.00 0.00 H new ATOM 0 HB3 ASP A 54 69.386 6.877 8.341 1.00 0.00 H new ATOM 810 N TYR A 55 66.198 6.226 7.767 1.00 0.00 N ATOM 811 CA TYR A 55 65.302 6.864 6.806 1.00 0.00 C ATOM 812 C TYR A 55 63.844 6.775 7.262 1.00 0.00 C ATOM 813 O TYR A 55 63.008 7.577 6.848 1.00 0.00 O ATOM 814 CB TYR A 55 65.441 6.209 5.429 1.00 0.00 C ATOM 815 CG TYR A 55 66.837 6.444 4.898 1.00 0.00 C ATOM 816 CD1 TYR A 55 67.931 5.811 5.501 1.00 0.00 C ATOM 817 CD2 TYR A 55 67.038 7.293 3.801 1.00 0.00 C ATOM 818 CE1 TYR A 55 69.224 6.027 5.009 1.00 0.00 C ATOM 819 CE2 TYR A 55 68.332 7.508 3.309 1.00 0.00 C ATOM 820 CZ TYR A 55 69.424 6.875 3.912 1.00 0.00 C ATOM 821 OH TYR A 55 70.698 7.086 3.428 1.00 0.00 O ATOM 0 H TYR A 55 66.261 5.211 7.686 1.00 0.00 H new ATOM 0 HA TYR A 55 65.585 7.915 6.742 1.00 0.00 H new ATOM 0 HB2 TYR A 55 65.243 5.140 5.501 1.00 0.00 H new ATOM 0 HB3 TYR A 55 64.704 6.624 4.741 1.00 0.00 H new ATOM 0 HD1 TYR A 55 67.777 5.156 6.346 1.00 0.00 H new ATOM 0 HD2 TYR A 55 66.195 7.782 3.335 1.00 0.00 H new ATOM 0 HE1 TYR A 55 70.067 5.540 5.475 1.00 0.00 H new ATOM 0 HE2 TYR A 55 68.486 8.163 2.464 1.00 0.00 H new ATOM 0 HH TYR A 55 70.660 7.699 2.664 1.00 0.00 H new ATOM 831 N GLY A 56 63.542 5.799 8.119 1.00 0.00 N ATOM 832 CA GLY A 56 62.174 5.639 8.611 1.00 0.00 C ATOM 833 C GLY A 56 61.269 5.077 7.518 1.00 0.00 C ATOM 834 O GLY A 56 60.130 5.512 7.347 1.00 0.00 O ATOM 0 H GLY A 56 64.211 5.120 8.481 1.00 0.00 H new ATOM 0 HA2 GLY A 56 62.168 4.972 9.473 1.00 0.00 H new ATOM 0 HA3 GLY A 56 61.789 6.601 8.949 1.00 0.00 H new ATOM 838 N VAL A 57 61.795 4.107 6.779 1.00 0.00 N ATOM 839 CA VAL A 57 61.040 3.483 5.694 1.00 0.00 C ATOM 840 C VAL A 57 60.445 2.155 6.157 1.00 0.00 C ATOM 841 O VAL A 57 61.089 1.390 6.876 1.00 0.00 O ATOM 842 CB VAL A 57 61.960 3.236 4.493 1.00 0.00 C ATOM 843 CG1 VAL A 57 61.153 2.680 3.310 1.00 0.00 C ATOM 844 CG2 VAL A 57 62.626 4.557 4.094 1.00 0.00 C ATOM 0 H VAL A 57 62.736 3.736 6.909 1.00 0.00 H new ATOM 0 HA VAL A 57 60.232 4.154 5.403 1.00 0.00 H new ATOM 0 HB VAL A 57 62.722 2.506 4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 57 61.819 2.509 2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 57 60.685 1.739 3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 57 60.382 3.397 3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 57 63.282 4.390 3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 57 61.860 5.284 3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 57 63.210 4.938 4.932 1.00 0.00 H new ATOM 854 N GLN A 58 59.208 1.886 5.737 1.00 0.00 N ATOM 855 CA GLN A 58 58.546 0.639 6.123 1.00 0.00 C ATOM 856 C GLN A 58 57.161 0.524 5.477 1.00 0.00 C ATOM 857 O GLN A 58 56.139 0.468 6.163 1.00 0.00 O ATOM 858 CB GLN A 58 58.401 0.562 7.647 1.00 0.00 C ATOM 859 CG GLN A 58 58.324 -0.904 8.078 1.00 0.00 C ATOM 860 CD GLN A 58 58.064 -0.980 9.578 1.00 0.00 C ATOM 861 OE1 GLN A 58 56.921 -1.131 10.010 1.00 0.00 O ATOM 862 NE2 GLN A 58 59.067 -0.884 10.408 1.00 0.00 N ATOM 0 H GLN A 58 58.653 2.501 5.141 1.00 0.00 H new ATOM 0 HA GLN A 58 59.166 -0.186 5.772 1.00 0.00 H new ATOM 0 HB2 GLN A 58 59.248 1.050 8.129 1.00 0.00 H new ATOM 0 HB3 GLN A 58 57.504 1.093 7.965 1.00 0.00 H new ATOM 0 HG2 GLN A 58 57.528 -1.413 7.534 1.00 0.00 H new ATOM 0 HG3 GLN A 58 59.255 -1.415 7.833 1.00 0.00 H new ATOM 0 HE21 GLN A 58 60.014 -0.759 10.051 1.00 0.00 H new ATOM 0 HE22 GLN A 58 58.903 -0.934 11.414 1.00 0.00 H new ATOM 871 N LEU A 59 57.138 0.479 4.147 1.00 0.00 N ATOM 872 CA LEU A 59 55.871 0.355 3.426 1.00 0.00 C ATOM 873 C LEU A 59 55.401 -1.095 3.434 1.00 0.00 C ATOM 874 O LEU A 59 54.204 -1.378 3.477 1.00 0.00 O ATOM 875 CB LEU A 59 56.018 0.807 1.972 1.00 0.00 C ATOM 876 CG LEU A 59 56.958 2.007 1.744 1.00 0.00 C ATOM 877 CD1 LEU A 59 58.002 1.665 0.670 1.00 0.00 C ATOM 878 CD2 LEU A 59 56.143 3.233 1.296 1.00 0.00 C ATOM 0 H LEU A 59 57.966 0.526 3.554 1.00 0.00 H new ATOM 0 HA LEU A 59 55.143 0.991 3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 59 56.382 -0.035 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.031 1.062 1.587 1.00 0.00 H new ATOM 0 HG LEU A 59 57.469 2.234 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 59 58.660 2.520 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 59 58.591 0.807 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 59 57.497 1.425 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 59 56.814 4.077 1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 59 55.622 3.003 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 59 55.416 3.488 2.067 1.00 0.00 H new ATOM 890 N GLY A 60 56.365 -2.012 3.392 1.00 0.00 N ATOM 891 CA GLY A 60 56.054 -3.435 3.392 1.00 0.00 C ATOM 892 C GLY A 60 57.233 -4.245 3.922 1.00 0.00 C ATOM 893 O GLY A 60 58.339 -4.181 3.389 1.00 0.00 O ATOM 0 H GLY A 60 57.361 -1.795 3.358 1.00 0.00 H new ATOM 0 HA2 GLY A 60 55.174 -3.620 4.007 1.00 0.00 H new ATOM 0 HA3 GLY A 60 55.809 -3.759 2.380 1.00 0.00 H new ATOM 897 N ASP A 61 56.980 -5.003 4.983 1.00 0.00 N ATOM 898 CA ASP A 61 58.023 -5.823 5.594 1.00 0.00 C ATOM 899 C ASP A 61 58.563 -6.851 4.602 1.00 0.00 C ATOM 900 O ASP A 61 59.724 -7.258 4.680 1.00 0.00 O ATOM 901 CB ASP A 61 57.476 -6.557 6.821 1.00 0.00 C ATOM 902 CG ASP A 61 56.958 -5.541 7.832 1.00 0.00 C ATOM 903 OD1 ASP A 61 56.172 -4.694 7.443 1.00 0.00 O ATOM 904 OD2 ASP A 61 57.355 -5.625 8.983 1.00 0.00 O ATOM 0 H ASP A 61 56.069 -5.068 5.436 1.00 0.00 H new ATOM 0 HA ASP A 61 58.832 -5.157 5.894 1.00 0.00 H new ATOM 0 HB2 ASP A 61 56.674 -7.233 6.526 1.00 0.00 H new ATOM 0 HB3 ASP A 61 58.258 -7.168 7.271 1.00 0.00 H new ATOM 909 N ASP A 62 57.714 -7.274 3.668 1.00 0.00 N ATOM 910 CA ASP A 62 58.127 -8.262 2.676 1.00 0.00 C ATOM 911 C ASP A 62 58.957 -7.635 1.555 1.00 0.00 C ATOM 912 O ASP A 62 59.419 -8.335 0.652 1.00 0.00 O ATOM 913 CB ASP A 62 56.912 -8.954 2.059 1.00 0.00 C ATOM 914 CG ASP A 62 55.939 -7.906 1.528 1.00 0.00 C ATOM 915 OD1 ASP A 62 55.200 -7.355 2.327 1.00 0.00 O ATOM 916 OD2 ASP A 62 55.948 -7.670 0.331 1.00 0.00 O ATOM 0 H ASP A 62 56.750 -6.953 3.578 1.00 0.00 H new ATOM 0 HA ASP A 62 58.743 -8.992 3.202 1.00 0.00 H new ATOM 0 HB2 ASP A 62 57.228 -9.613 1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 62 56.419 -9.578 2.805 1.00 0.00 H new ATOM 921 N ALA A 63 59.172 -6.318 1.620 1.00 0.00 N ATOM 922 CA ALA A 63 59.975 -5.639 0.606 1.00 0.00 C ATOM 923 C ALA A 63 61.369 -6.254 0.557 1.00 0.00 C ATOM 924 O ALA A 63 61.995 -6.341 -0.500 1.00 0.00 O ATOM 925 CB ALA A 63 60.105 -4.156 0.938 1.00 0.00 C ATOM 0 H ALA A 63 58.806 -5.711 2.353 1.00 0.00 H new ATOM 0 HA ALA A 63 59.481 -5.753 -0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 63 60.706 -3.663 0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 63 59.115 -3.702 0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 63 60.588 -4.041 1.909 1.00 0.00 H new ATOM 931 N VAL A 64 61.835 -6.694 1.722 1.00 0.00 N ATOM 932 CA VAL A 64 63.147 -7.319 1.819 1.00 0.00 C ATOM 933 C VAL A 64 63.159 -8.620 1.022 1.00 0.00 C ATOM 934 O VAL A 64 64.188 -9.022 0.480 1.00 0.00 O ATOM 935 CB VAL A 64 63.495 -7.620 3.279 1.00 0.00 C ATOM 936 CG1 VAL A 64 64.944 -8.101 3.372 1.00 0.00 C ATOM 937 CG2 VAL A 64 63.328 -6.350 4.117 1.00 0.00 C ATOM 0 H VAL A 64 61.328 -6.630 2.604 1.00 0.00 H new ATOM 0 HA VAL A 64 63.887 -6.629 1.413 1.00 0.00 H new ATOM 0 HB VAL A 64 62.829 -8.396 3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 64 65.190 -8.315 4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 64 65.066 -9.006 2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 64 65.610 -7.325 2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 64 63.576 -6.565 5.156 1.00 0.00 H new ATOM 0 HG22 VAL A 64 63.993 -5.574 3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 64 62.296 -6.006 4.054 1.00 0.00 H new ATOM 947 N GLU A 65 61.998 -9.274 0.953 1.00 0.00 N ATOM 948 CA GLU A 65 61.888 -10.525 0.214 1.00 0.00 C ATOM 949 C GLU A 65 62.025 -10.264 -1.282 1.00 0.00 C ATOM 950 O GLU A 65 62.699 -11.005 -1.999 1.00 0.00 O ATOM 951 CB GLU A 65 60.537 -11.191 0.483 1.00 0.00 C ATOM 952 CG GLU A 65 60.592 -12.655 0.040 1.00 0.00 C ATOM 953 CD GLU A 65 60.207 -12.756 -1.432 1.00 0.00 C ATOM 954 OE1 GLU A 65 59.336 -12.010 -1.847 1.00 0.00 O ATOM 955 OE2 GLU A 65 60.790 -13.576 -2.121 1.00 0.00 O ATOM 0 H GLU A 65 61.134 -8.961 1.395 1.00 0.00 H new ATOM 0 HA GLU A 65 62.687 -11.187 0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 65 60.294 -11.130 1.544 1.00 0.00 H new ATOM 0 HB3 GLU A 65 59.747 -10.667 -0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 65 61.594 -13.055 0.193 1.00 0.00 H new ATOM 0 HG3 GLU A 65 59.914 -13.255 0.646 1.00 0.00 H new ATOM 962 N LYS A 66 61.376 -9.198 -1.745 1.00 0.00 N ATOM 963 CA LYS A 66 61.427 -8.840 -3.157 1.00 0.00 C ATOM 964 C LYS A 66 62.773 -8.207 -3.503 1.00 0.00 C ATOM 965 O LYS A 66 63.275 -8.353 -4.618 1.00 0.00 O ATOM 966 CB LYS A 66 60.311 -7.851 -3.500 1.00 0.00 C ATOM 967 CG LYS A 66 58.958 -8.457 -3.121 1.00 0.00 C ATOM 968 CD LYS A 66 57.840 -7.482 -3.497 1.00 0.00 C ATOM 969 CE LYS A 66 56.484 -8.167 -3.318 1.00 0.00 C ATOM 970 NZ LYS A 66 55.394 -7.184 -3.569 1.00 0.00 N ATOM 0 H LYS A 66 60.814 -8.573 -1.167 1.00 0.00 H new ATOM 0 HA LYS A 66 61.296 -9.753 -3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 66 60.464 -6.914 -2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 66 60.332 -7.618 -4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 66 58.816 -9.407 -3.636 1.00 0.00 H new ATOM 0 HG3 LYS A 66 58.928 -8.667 -2.052 1.00 0.00 H new ATOM 0 HD2 LYS A 66 57.895 -6.591 -2.872 1.00 0.00 H new ATOM 0 HD3 LYS A 66 57.961 -7.155 -4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 66 56.396 -9.008 -4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 66 56.399 -8.571 -2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 54.472 -7.649 -3.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 55.475 -6.396 -2.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 55.472 -6.819 -4.540 1.00 0.00 H new ATOM 984 N ALA A 67 63.350 -7.502 -2.532 1.00 0.00 N ATOM 985 CA ALA A 67 64.642 -6.844 -2.737 1.00 0.00 C ATOM 986 C ALA A 67 65.714 -7.861 -3.129 1.00 0.00 C ATOM 987 O ALA A 67 66.362 -8.465 -2.274 1.00 0.00 O ATOM 988 CB ALA A 67 65.082 -6.125 -1.463 1.00 0.00 C ATOM 0 H ALA A 67 62.949 -7.371 -1.603 1.00 0.00 H new ATOM 0 HA ALA A 67 64.522 -6.120 -3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 67 66.044 -5.641 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 67 64.340 -5.373 -1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 67 65.177 -6.847 -0.652 1.00 0.00 H new ATOM 994 N THR A 68 65.898 -8.026 -4.435 1.00 0.00 N ATOM 995 CA THR A 68 66.907 -8.952 -4.951 1.00 0.00 C ATOM 996 C THR A 68 68.147 -8.171 -5.394 1.00 0.00 C ATOM 997 O THR A 68 69.268 -8.674 -5.349 1.00 0.00 O ATOM 998 CB THR A 68 66.355 -9.764 -6.134 1.00 0.00 C ATOM 999 OG1 THR A 68 67.338 -10.694 -6.562 1.00 0.00 O ATOM 1000 CG2 THR A 68 65.994 -8.834 -7.298 1.00 0.00 C ATOM 0 H THR A 68 65.366 -7.535 -5.154 1.00 0.00 H new ATOM 0 HA THR A 68 67.176 -9.645 -4.154 1.00 0.00 H new ATOM 0 HB THR A 68 65.457 -10.292 -5.813 1.00 0.00 H new ATOM 0 HG1 THR A 68 66.989 -11.215 -7.315 1.00 0.00 H new ATOM 0 HG21 THR A 68 65.605 -9.424 -8.128 1.00 0.00 H new ATOM 0 HG22 THR A 68 65.236 -8.121 -6.973 1.00 0.00 H new ATOM 0 HG23 THR A 68 66.884 -8.295 -7.622 1.00 0.00 H new ATOM 1008 N THR A 69 67.919 -6.925 -5.806 1.00 0.00 N ATOM 1009 CA THR A 69 69.002 -6.050 -6.235 1.00 0.00 C ATOM 1010 C THR A 69 69.168 -4.949 -5.188 1.00 0.00 C ATOM 1011 O THR A 69 68.240 -4.685 -4.422 1.00 0.00 O ATOM 1012 CB THR A 69 68.680 -5.401 -7.600 1.00 0.00 C ATOM 1013 OG1 THR A 69 67.342 -5.706 -7.973 1.00 0.00 O ATOM 1014 CG2 THR A 69 69.635 -5.929 -8.672 1.00 0.00 C ATOM 0 H THR A 69 66.992 -6.501 -5.851 1.00 0.00 H new ATOM 0 HA THR A 69 69.916 -6.635 -6.339 1.00 0.00 H new ATOM 0 HB THR A 69 68.799 -4.321 -7.512 1.00 0.00 H new ATOM 0 HG1 THR A 69 67.141 -5.291 -8.838 1.00 0.00 H new ATOM 0 HG21 THR A 69 69.399 -5.465 -9.630 1.00 0.00 H new ATOM 0 HG22 THR A 69 70.661 -5.688 -8.395 1.00 0.00 H new ATOM 0 HG23 THR A 69 69.526 -7.010 -8.756 1.00 0.00 H new ATOM 1022 N PRO A 70 70.319 -4.274 -5.142 1.00 0.00 N ATOM 1023 CA PRO A 70 70.519 -3.190 -4.168 1.00 0.00 C ATOM 1024 C PRO A 70 69.620 -2.003 -4.479 1.00 0.00 C ATOM 1025 O PRO A 70 69.174 -1.293 -3.581 1.00 0.00 O ATOM 1026 CB PRO A 70 71.998 -2.856 -4.334 1.00 0.00 C ATOM 1027 CG PRO A 70 72.397 -3.343 -5.716 1.00 0.00 C ATOM 1028 CD PRO A 70 71.470 -4.517 -6.041 1.00 0.00 C ATOM 0 HA PRO A 70 70.264 -3.465 -3.145 1.00 0.00 H new ATOM 0 HB2 PRO A 70 72.167 -1.784 -4.237 1.00 0.00 H new ATOM 0 HB3 PRO A 70 72.595 -3.344 -3.563 1.00 0.00 H new ATOM 0 HG2 PRO A 70 72.291 -2.548 -6.454 1.00 0.00 H new ATOM 0 HG3 PRO A 70 73.441 -3.656 -5.732 1.00 0.00 H new ATOM 0 HD2 PRO A 70 71.172 -4.521 -7.090 1.00 0.00 H new ATOM 0 HD3 PRO A 70 71.946 -5.477 -5.841 1.00 0.00 H new ATOM 1036 N ARG A 71 69.334 -1.818 -5.765 1.00 0.00 N ATOM 1037 CA ARG A 71 68.458 -0.735 -6.189 1.00 0.00 C ATOM 1038 C ARG A 71 67.042 -0.967 -5.667 1.00 0.00 C ATOM 1039 O ARG A 71 66.296 -0.020 -5.422 1.00 0.00 O ATOM 1040 CB ARG A 71 68.421 -0.638 -7.713 1.00 0.00 C ATOM 1041 CG ARG A 71 69.766 -0.118 -8.218 1.00 0.00 C ATOM 1042 CD ARG A 71 69.550 0.745 -9.457 1.00 0.00 C ATOM 1043 NE ARG A 71 70.748 1.536 -9.739 1.00 0.00 N ATOM 1044 CZ ARG A 71 71.003 2.698 -9.119 1.00 0.00 C ATOM 1045 NH1 ARG A 71 70.194 3.176 -8.204 1.00 0.00 N ATOM 1046 NH2 ARG A 71 72.085 3.361 -9.425 1.00 0.00 N ATOM 0 H ARG A 71 69.693 -2.399 -6.523 1.00 0.00 H new ATOM 0 HA ARG A 71 68.850 0.197 -5.781 1.00 0.00 H new ATOM 0 HB2 ARG A 71 68.210 -1.616 -8.146 1.00 0.00 H new ATOM 0 HB3 ARG A 71 67.619 0.030 -8.027 1.00 0.00 H new ATOM 0 HG2 ARG A 71 70.258 0.464 -7.439 1.00 0.00 H new ATOM 0 HG3 ARG A 71 70.424 -0.954 -8.455 1.00 0.00 H new ATOM 0 HD2 ARG A 71 69.314 0.112 -10.313 1.00 0.00 H new ATOM 0 HD3 ARG A 71 68.697 1.406 -9.304 1.00 0.00 H new ATOM 0 HE ARG A 71 71.413 1.192 -10.432 1.00 0.00 H new ATOM 0 HH11 ARG A 71 69.350 2.662 -7.950 1.00 0.00 H new ATOM 0 HH12 ARG A 71 70.409 4.062 -7.746 1.00 0.00 H new ATOM 0 HH21 ARG A 71 72.726 2.994 -10.129 1.00 0.00 H new ATOM 0 HH22 ARG A 71 72.290 4.246 -8.960 1.00 0.00 H new ATOM 1060 N ALA A 72 66.682 -2.243 -5.486 1.00 0.00 N ATOM 1061 CA ALA A 72 65.353 -2.583 -4.976 1.00 0.00 C ATOM 1062 C ALA A 72 65.159 -1.958 -3.602 1.00 0.00 C ATOM 1063 O ALA A 72 64.183 -1.250 -3.351 1.00 0.00 O ATOM 1064 CB ALA A 72 65.188 -4.099 -4.865 1.00 0.00 C ATOM 0 H ALA A 72 67.283 -3.044 -5.682 1.00 0.00 H new ATOM 0 HA ALA A 72 64.607 -2.197 -5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 72 64.193 -4.330 -4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 72 65.314 -4.552 -5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 72 65.939 -4.498 -4.183 1.00 0.00 H new ATOM 1070 N LEU A 73 66.121 -2.216 -2.721 1.00 0.00 N ATOM 1071 CA LEU A 73 66.082 -1.661 -1.367 1.00 0.00 C ATOM 1072 C LEU A 73 66.005 -0.137 -1.429 1.00 0.00 C ATOM 1073 O LEU A 73 65.230 0.492 -0.707 1.00 0.00 O ATOM 1074 CB LEU A 73 67.336 -2.058 -0.585 1.00 0.00 C ATOM 1075 CG LEU A 73 67.644 -3.555 -0.568 1.00 0.00 C ATOM 1076 CD1 LEU A 73 69.048 -3.782 -0.006 1.00 0.00 C ATOM 1077 CD2 LEU A 73 66.621 -4.272 0.316 1.00 0.00 C ATOM 0 H LEU A 73 66.933 -2.802 -2.916 1.00 0.00 H new ATOM 0 HA LEU A 73 65.201 -2.059 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 73 68.191 -1.532 -1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 73 67.228 -1.714 0.443 1.00 0.00 H new ATOM 0 HG LEU A 73 67.592 -3.949 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 73 69.267 -4.850 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 73 69.778 -3.269 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 73 69.101 -3.389 1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.838 -5.340 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.676 -3.877 1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.619 -4.110 -0.082 1.00 0.00 H new ATOM 1089 N ILE A 74 66.808 0.445 -2.319 1.00 0.00 N ATOM 1090 CA ILE A 74 66.814 1.898 -2.488 1.00 0.00 C ATOM 1091 C ILE A 74 65.444 2.359 -2.976 1.00 0.00 C ATOM 1092 O ILE A 74 64.936 3.398 -2.556 1.00 0.00 O ATOM 1093 CB ILE A 74 67.880 2.328 -3.506 1.00 0.00 C ATOM 1094 CG1 ILE A 74 69.251 1.817 -3.060 1.00 0.00 C ATOM 1095 CG2 ILE A 74 67.922 3.857 -3.600 1.00 0.00 C ATOM 1096 CD1 ILE A 74 70.267 2.037 -4.183 1.00 0.00 C ATOM 0 H ILE A 74 67.454 -0.059 -2.926 1.00 0.00 H new ATOM 0 HA ILE A 74 67.045 2.354 -1.525 1.00 0.00 H new ATOM 0 HB ILE A 74 67.630 1.909 -4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 74 69.570 2.340 -2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 74 69.193 0.758 -2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 74 68.680 4.156 -4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 74 66.948 4.229 -3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 74 68.167 4.275 -2.624 1.00 0.00 H new ATOM 0 HD11 ILE A 74 71.244 1.673 -3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 74 69.949 1.494 -5.073 1.00 0.00 H new ATOM 0 HD13 ILE A 74 70.333 3.101 -4.411 1.00 0.00 H new ATOM 1108 N GLU A 75 64.850 1.565 -3.866 1.00 0.00 N ATOM 1109 CA GLU A 75 63.533 1.893 -4.404 1.00 0.00 C ATOM 1110 C GLU A 75 62.512 1.951 -3.276 1.00 0.00 C ATOM 1111 O GLU A 75 61.761 2.917 -3.143 1.00 0.00 O ATOM 1112 CB GLU A 75 63.095 0.842 -5.426 1.00 0.00 C ATOM 1113 CG GLU A 75 63.550 1.268 -6.823 1.00 0.00 C ATOM 1114 CD GLU A 75 62.621 2.354 -7.353 1.00 0.00 C ATOM 1115 OE1 GLU A 75 61.477 2.038 -7.640 1.00 0.00 O ATOM 1116 OE2 GLU A 75 63.065 3.484 -7.465 1.00 0.00 O ATOM 0 H GLU A 75 65.255 0.701 -4.226 1.00 0.00 H new ATOM 0 HA GLU A 75 63.594 2.864 -4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 75 63.523 -0.128 -5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 75 62.011 0.727 -5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 75 64.575 1.638 -6.786 1.00 0.00 H new ATOM 0 HG3 GLU A 75 63.545 0.410 -7.496 1.00 0.00 H new ATOM 1123 N MET A 76 62.508 0.906 -2.459 1.00 0.00 N ATOM 1124 CA MET A 76 61.595 0.834 -1.327 1.00 0.00 C ATOM 1125 C MET A 76 61.868 1.986 -0.364 1.00 0.00 C ATOM 1126 O MET A 76 60.948 2.606 0.167 1.00 0.00 O ATOM 1127 CB MET A 76 61.793 -0.496 -0.590 1.00 0.00 C ATOM 1128 CG MET A 76 60.437 -1.151 -0.307 1.00 0.00 C ATOM 1129 SD MET A 76 60.001 -0.961 1.445 1.00 0.00 S ATOM 1130 CE MET A 76 61.456 -1.780 2.145 1.00 0.00 C ATOM 0 H MET A 76 63.124 0.099 -2.559 1.00 0.00 H new ATOM 0 HA MET A 76 60.571 0.903 -1.693 1.00 0.00 H new ATOM 0 HB2 MET A 76 62.410 -1.165 -1.191 1.00 0.00 H new ATOM 0 HB3 MET A 76 62.325 -0.326 0.346 1.00 0.00 H new ATOM 0 HG2 MET A 76 59.668 -0.696 -0.932 1.00 0.00 H new ATOM 0 HG3 MET A 76 60.475 -2.209 -0.567 1.00 0.00 H new ATOM 0 HE1 MET A 76 61.138 -2.525 2.875 1.00 0.00 H new ATOM 0 HE2 MET A 76 62.017 -2.269 1.348 1.00 0.00 H new ATOM 0 HE3 MET A 76 62.090 -1.040 2.634 1.00 0.00 H new ATOM 1140 N THR A 77 63.149 2.258 -0.146 1.00 0.00 N ATOM 1141 CA THR A 77 63.546 3.330 0.757 1.00 0.00 C ATOM 1142 C THR A 77 63.065 4.681 0.234 1.00 0.00 C ATOM 1143 O THR A 77 62.572 5.512 0.989 1.00 0.00 O ATOM 1144 CB THR A 77 65.069 3.364 0.901 1.00 0.00 C ATOM 1145 OG1 THR A 77 65.541 2.065 1.231 1.00 0.00 O ATOM 1146 CG2 THR A 77 65.459 4.346 2.005 1.00 0.00 C ATOM 0 H THR A 77 63.924 1.756 -0.578 1.00 0.00 H new ATOM 0 HA THR A 77 63.090 3.138 1.728 1.00 0.00 H new ATOM 0 HB THR A 77 65.515 3.685 -0.040 1.00 0.00 H new ATOM 0 HG1 THR A 77 65.742 1.571 0.409 1.00 0.00 H new ATOM 0 HG21 THR A 77 66.544 4.368 2.105 1.00 0.00 H new ATOM 0 HG22 THR A 77 65.098 5.342 1.750 1.00 0.00 H new ATOM 0 HG23 THR A 77 65.014 4.029 2.948 1.00 0.00 H new ATOM 1154 N ASN A 78 63.220 4.891 -1.066 1.00 0.00 N ATOM 1155 CA ASN A 78 62.806 6.152 -1.675 1.00 0.00 C ATOM 1156 C ASN A 78 61.293 6.212 -1.826 1.00 0.00 C ATOM 1157 O ASN A 78 60.680 7.263 -1.670 1.00 0.00 O ATOM 1158 CB ASN A 78 63.437 6.302 -3.059 1.00 0.00 C ATOM 1159 CG ASN A 78 64.904 6.682 -2.916 1.00 0.00 C ATOM 1160 OD1 ASN A 78 65.318 7.760 -3.335 1.00 0.00 O ATOM 1161 ND2 ASN A 78 65.726 5.854 -2.342 1.00 0.00 N ATOM 0 H ASN A 78 63.624 4.215 -1.714 1.00 0.00 H new ATOM 0 HA ASN A 78 63.137 6.959 -1.022 1.00 0.00 H new ATOM 0 HB2 ASN A 78 63.346 5.368 -3.614 1.00 0.00 H new ATOM 0 HB3 ASN A 78 62.908 7.065 -3.630 1.00 0.00 H new ATOM 0 HD21 ASN A 78 66.711 6.101 -2.241 1.00 0.00 H new ATOM 0 HD22 ASN A 78 65.386 4.958 -1.993 1.00 0.00 H new ATOM 1168 N ALA A 79 60.706 5.067 -2.141 1.00 0.00 N ATOM 1169 CA ALA A 79 59.260 4.971 -2.335 1.00 0.00 C ATOM 1170 C ALA A 79 58.512 5.430 -1.093 1.00 0.00 C ATOM 1171 O ALA A 79 57.430 6.011 -1.178 1.00 0.00 O ATOM 1172 CB ALA A 79 58.864 3.527 -2.636 1.00 0.00 C ATOM 0 H ALA A 79 61.207 4.188 -2.269 1.00 0.00 H new ATOM 0 HA ALA A 79 58.995 5.615 -3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 79 57.785 3.468 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 79 59.369 3.193 -3.542 1.00 0.00 H new ATOM 0 HB3 ALA A 79 59.155 2.888 -1.802 1.00 0.00 H new ATOM 1178 N SER A 80 59.100 5.155 0.059 1.00 0.00 N ATOM 1179 CA SER A 80 58.486 5.531 1.318 1.00 0.00 C ATOM 1180 C SER A 80 58.754 7.000 1.622 1.00 0.00 C ATOM 1181 O SER A 80 57.868 7.730 2.064 1.00 0.00 O ATOM 1182 CB SER A 80 59.023 4.645 2.450 1.00 0.00 C ATOM 1183 OG SER A 80 60.192 5.228 3.019 1.00 0.00 O ATOM 0 H SER A 80 59.996 4.676 0.147 1.00 0.00 H new ATOM 0 HA SER A 80 57.408 5.386 1.240 1.00 0.00 H new ATOM 0 HB2 SER A 80 58.259 4.521 3.218 1.00 0.00 H new ATOM 0 HB3 SER A 80 59.253 3.651 2.066 1.00 0.00 H new ATOM 0 HG SER A 80 60.877 5.330 2.326 1.00 0.00 H new ATOM 1189 N LEU A 81 59.989 7.421 1.380 1.00 0.00 N ATOM 1190 CA LEU A 81 60.366 8.803 1.633 1.00 0.00 C ATOM 1191 C LEU A 81 59.667 9.746 0.659 1.00 0.00 C ATOM 1192 O LEU A 81 59.056 10.735 1.067 1.00 0.00 O ATOM 1193 CB LEU A 81 61.875 8.950 1.514 1.00 0.00 C ATOM 1194 CG LEU A 81 62.649 8.029 2.453 1.00 0.00 C ATOM 1195 CD1 LEU A 81 64.099 7.903 1.990 1.00 0.00 C ATOM 1196 CD2 LEU A 81 62.603 8.602 3.862 1.00 0.00 C ATOM 0 H LEU A 81 60.737 6.833 1.013 1.00 0.00 H new ATOM 0 HA LEU A 81 60.054 9.070 2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 81 62.173 8.743 0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 81 62.150 9.984 1.723 1.00 0.00 H new ATOM 0 HG LEU A 81 62.194 7.038 2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 81 64.641 7.244 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 81 64.124 7.488 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 81 64.568 8.887 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 81 63.154 7.949 4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 81 63.055 9.594 3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 81 61.567 8.674 4.192 1.00 0.00 H new ATOM 1208 N THR A 82 59.750 9.433 -0.631 1.00 0.00 N ATOM 1209 CA THR A 82 59.102 10.270 -1.640 1.00 0.00 C ATOM 1210 C THR A 82 57.592 10.009 -1.669 1.00 0.00 C ATOM 1211 O THR A 82 56.805 10.879 -2.044 1.00 0.00 O ATOM 1212 CB THR A 82 59.708 10.024 -3.036 1.00 0.00 C ATOM 1213 OG1 THR A 82 59.236 11.020 -3.933 1.00 0.00 O ATOM 1214 CG2 THR A 82 59.321 8.638 -3.570 1.00 0.00 C ATOM 0 H THR A 82 60.249 8.623 -0.999 1.00 0.00 H new ATOM 0 HA THR A 82 59.274 11.312 -1.369 1.00 0.00 H new ATOM 0 HB THR A 82 60.794 10.071 -2.954 1.00 0.00 H new ATOM 0 HG1 THR A 82 59.620 10.868 -4.822 1.00 0.00 H new ATOM 0 HG21 THR A 82 59.762 8.492 -4.556 1.00 0.00 H new ATOM 0 HG22 THR A 82 59.690 7.870 -2.890 1.00 0.00 H new ATOM 0 HG23 THR A 82 58.236 8.567 -3.644 1.00 0.00 H new ATOM 1222 N GLY A 83 57.198 8.800 -1.268 1.00 0.00 N ATOM 1223 CA GLY A 83 55.784 8.433 -1.254 1.00 0.00 C ATOM 1224 C GLY A 83 54.992 9.335 -0.310 1.00 0.00 C ATOM 1225 O GLY A 83 53.790 9.532 -0.487 1.00 0.00 O ATOM 0 H GLY A 83 57.831 8.066 -0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 83 55.376 8.508 -2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 83 55.678 7.394 -0.943 1.00 0.00 H new